Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2240583
Preview
| Coordinates | 2240583.cif |
|---|---|
| Structure factors | 2240583.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dibenzyldimethylsilane |
|---|---|
| Formula | C16 H20 Si |
| Calculated formula | C16 H20 Si |
| SMILES | [Si](Cc1ccccc1)(Cc1ccccc1)(C)C |
| Title of publication | Crystal structure of dibenzyldimethylsilane |
| Authors of publication | Knauer, Lena; Golz, Christopher; Kroesen, Ulrike; Koller, Stephan G.; Strohmann, Carsten |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | o391 - o392 |
| a | 6.1045 ± 0.0002 Å |
| b | 19.8512 ± 0.0006 Å |
| c | 11.8396 ± 0.0003 Å |
| α | 90° |
| β | 98.069 ± 0.003° |
| γ | 90° |
| Cell volume | 1420.54 ± 0.07 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0422 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0865 |
| Weighted residual factors for all reflections included in the refinement | 0.0884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181905 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05 |
2240583.cif 2240583.hkl |
| 136379 | 2015-05-13 | cif/ hkl/ Adding structures of 2240583 via cif-deposit CGI script. |
2240583.cif 2240583.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.